| CAS Number | 1329058-96-9 |
| Catalog Number | AG01DSWM |
| Chemical Name | 3-(1H-Pyrrol-2-yl)benzoic acid |
| IUPAC Name | 3-(1H-pyrrol-2-yl)benzoic acid |
| InChI | InChI=1S/C11H9NO2/c13-11(14)9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,12H,(H,13,14) |
| InChI Key | LLVNRLHZSZPIJD-UHFFFAOYSA-N |
| MDL Number | MFCD20661174 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | N1C(=CC=C1)C=1C=C(C(=O)O)C=CC1 |
| Synonyms | 3-(1H-pyrrol-2-yl)benzoic acid,
1329058-96-9,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number